UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

703782
703782

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Popular Name: 1-[(5-bromo-3-pyridyl)sulfonyl]indolin-5-amine 1-[(5-bromo-3-pyridyl)sulfonyl]i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 3.1 -9.18 2 5 0 76 354.229 2 ↓

Analogs

703782
703782

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Popular Name: 1-[(5-bromo-3-pyridyl)sulfonyl]indolin-6-amine 1-[(5-bromo-3-pyridyl)sulfonyl]i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 3.1 -9.16 2 5 0 76 354.229 2 ↓

Analogs

703784
703784

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Popular Name: (2R)-1-[(5-bromo-3-pyridyl)sulfonyl]-2-methyl-indolin-5-amine (2R)-1-[(5-bromo-3-pyridyl)sulfo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 3.54 -8.83 2 5 0 76 368.256 2 ↓

Analogs

703784
703784

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Popular Name: (2S)-1-[(5-bromo-3-pyridyl)sulfonyl]-2-methyl-indolin-5-amine (2S)-1-[(5-bromo-3-pyridyl)sulfo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 3.9 -8.69 2 5 0 76 368.256 2 ↓

Analogs

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Popular Name: (2R)-1-[(2-chloro-3-pyridyl)sulfonyl]-2-methyl-indoline-5-sulfonamide (2R)-1-[(2-chloro-3-pyridyl)sulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 0.39 -21.35 2 7 0 110 387.87 3 ↓

Analogs

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Popular Name: (2S)-1-[(2-chloro-3-pyridyl)sulfonyl]-2-methyl-indoline-5-sulfonamide (2S)-1-[(2-chloro-3-pyridyl)sulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 0.49 -19.78 2 7 0 110 387.87 3 ↓

Analogs

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Popular Name: 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methylindoline 1-[(5,6-dichloro-3-pyridinyl)sul…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.83 6.3 -7.74 0 4 0 50 343.235 2 ↓

Analogs

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Popular Name: 1-[(6-chloro-3-pyridyl)sulfonyl]-6-nitro-indoline 1-[(6-chloro-3-pyridyl)sulfonyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 5.75 -14.68 0 7 0 96 339.76 3 ↓

Analogs

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Popular Name: 5-bromo-1-[(6-chloro-3-pyridyl)sulfonyl]indoline 5-bromo-1-[(6-chloro-3-pyridyl)s…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 5.67 -8.91 0 4 0 50 373.659 2 ↓

Analogs

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Popular Name: 5-bromo-1-(3-pyridylsulfonyl)indoline 5-bromo-1-(3-pyridylsulfonyl)ind…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 5.26 -10.43 0 4 0 50 339.214 2 ↓

Analogs

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Popular Name: 1-(3-pyridylsulfonyl)indoline-5-carboxylic 1-(3-pyridylsulfonyl)indoline-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 5.19 -56.35 0 6 -1 90 303.319 3 ↓

Parameters Provided:

ring.id = 5957
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 5957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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